General Information of the Compound
| Compound ID |
CP0557861
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| Compound Name |
3-[4-[5-[2-(3-methoxyphenyl)ethyl]-10-oxoindeno[1,2-b]indol-9-yl]oxybutoxy]-7-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
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| Formula |
C52H46N2O6
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| Molecular Weight |
794.948
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| Canonical SMILES |
COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1
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| InChI |
InChI=1S/C52H46N2O6/c1-32-28-42-45(43(55)29-32)47-50(54(42)24-22-33-12-4-3-5-13-33)40-31-36(20-21-39(40)52(47)57)59-26-8-9-27-60-44-19-11-18-41-46(44)48-49(37-16-6-7-17-38(37)51(48)56)53(41)25-23-34-14-10-15-35(30-34)58-2/h3-7,10-21,30-32H,8-9,22-29H2,1-2H3
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| InChIKey |
WHLKSTGDSWRJKN-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound